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89570-13-8 | 1,2,4-Dithiazolidin-3-one, 4-(phenylmethyl)-5-thioxo-
CAS No: 89570-13-8 Catalog No: AG0086LM MDL No:
Product Description
Catalog Number:
AG0086LM
Chemical Name:
1,2,4-Dithiazolidin-3-one, 4-(phenylmethyl)-5-thioxo-
CAS Number:
89570-13-8
Molecular Formula:
C9H7NOS3
Molecular Weight:
241.3530
IUPAC Name:
4-benzyl-5-sulfanylidene-1,2,4-dithiazolidin-3-one
InChI:
InChI=1S/C9H7NOS3/c11-8-10(9(12)14-13-8)6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
CYPSIIFRGQQPAA-UHFFFAOYSA-N
SMILES:
O=c1ssc(=S)n1Cc1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.341g/mol
Monoisotopic Mass:
240.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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